(11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene

C27H29P — CID 59371899

IUPAC(11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene
SMILESC1=c2ccccc2=C2c3c(ccc4c3=CCCC=4)CP(C3CCCC3)C[C@@H]2C1
InChIInChI=1S/C27H29P/c1-5-11-24-19(7-1)13-15-21-17-28(23-9-3-4-10-23)18-22-16-14-20-8-2-6-12-25(20)27(22)26(21)24/h1,5,7-8,11-14,16,21,23H,2-4,6,9-10,15,17-18H2/t21-,28?/m0/s1
InChIKeyGRRPEWGUXVBPHW-QDLLFRBVSA-N
MW384.50 g/mol
LogP3.98
Rot. Bonds1

About (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene

(11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene (PubChem CID 59371899) has the molecular formula C27H29P and a molecular weight of 384.50 g/mol. Its IUPAC name is (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene.

Molecular Properties

Compound Name(11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene
PubChem CID59371899
Molecular FormulaC27H29P
Molecular Weight384.50 g/mol
Exact Mass384.20
IUPAC Name(11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene
SMILESC1=c2ccccc2=C2c3c(ccc4c3=CCCC=4)CP(C3CCCC3)C[C@@H]2C1
InChIInChI=1S/C27H29P/c1-5-11-24-19(7-1)13-15-21-17-28(23-9-3-4-10-23)18-22-16-14-20-8-2-6-12-25(20)27(22)26(21)24/h1,5,7-8,11-14,16,21,23H,2-4,6,9-10,15,17-18H2/t21-,28?/m0/s1
InChIKeyGRRPEWGUXVBPHW-QDLLFRBVSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene?
The IUPAC name of (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene (CID 59371899) is (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene.
What is the SMILES notation for (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene?
The canonical SMILES for (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene is C1=c2ccccc2=C2c3c(ccc4c3=CCCC=4)CP(C3CCCC3)C[C@@H]2C1.
What is the InChIKey of (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene?
The InChIKey is GRRPEWGUXVBPHW-QDLLFRBVSA-N. The full InChI is InChI=1S/C27H29P/c1-5-11-24-19(7-1)13-15-21-17-28(23-9-3-4-10-23)18-22-16-14-20-8-2-6-12-25(20)27(22)26(21)24/h1,5,7-8,11-14,16,21,23H,2-4,6,9-10,15,17-18H2/t21-,28?/m0/s1.
What are the key properties of (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene?
(11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene has a molecular weight of 384.50 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene is sourced from PubChem (CID 59371899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).